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4-(Diethylamino)salicylaldehyd
4-(diethylamino)salicyladehyde · 4-Diethylamino-2-hydroxybenzaldehyde · 2-Hydroxy-4-diethylaminobenzaldehyde · -6- · 4(3H · 6+3) · amino)saL · 5]thieno[2
Identifikatoren & physikalische Daten
| CAS No. | 17754-90-4 |
|---|---|
| Summenformel | C11H15NO2 |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,11027872 g/mol |
| SMILES | CCN(CC)c1ccc(C=O)c(O)c1 |
| InChIKey | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
| PubChem CID | 87293 |
| ChEMBL | CHEMBL3561306 |
| ChEBI | CHEBI:183489 |
| EC No. | 241-745-3 |
| DTXSID | DTXSID5022271 |
| Lokaler Name | 4-(Diethylamino)salicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 180 |
| Collision Cross Section | 143.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5022271] |
| Schmelzpunkt | 60-62 °C (lit.) |
| Siedepunkt | 329.46°C (rough estimate) |
| Dichte | 1.0945 (rough estimate) |
| Brechungsindex | 1.5041 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | 8.29±0.10(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | Pale brown to pink to purple |
| BRN | 2212234 |
| InChIKey | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
| CAS Datenbank | 17754-90-4(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 4-(diethylamino)-2-hydroxy- (17754-90-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (84.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (84.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29225090 |
| RTECS-Nr. | CU5615150 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Verwenden
4-(Diethylamino)salicylaldehyde is usually used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.